Ga2ReSn
Alexandria ALEXAlex-ID: agm002831336 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_234_spg122
Ga4Re Re Sn
2017-01-23 18:12:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002831336).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm002831336
data_agm002831336
_cell_length_a 4.10633
_cell_length_b 4.10633
_cell_length_c 9.65532
_cell_angle_alpha 77.72256
_cell_angle_beta 77.72256
_cell_angle_gamma 90.00000
_cell_volume 155.27097
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Re1 Re 0.00000 0.00000 0.00000 1.00000
Re2 Re 0.75000 0.25000 0.50000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Sn2 Sn 0.25000 0.75000 0.50000 1.00000
Ga1 Ga 0.67765 0.12500 0.25000 1.00000
Ga2 Ga 0.07235 0.62500 0.25000 1.00000
Ga3 Ga 0.37500 0.32235 0.75000 1.00000
Ga4 Ga 0.87500 0.92765 0.75000 1.00000
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